[(2S)-1-[[(1R,2S,3R,4R,5S)-4-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(phenylmethoxycarbonylamino)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(phenylmethoxycarbonylamino)cyclohexyl]amino]-1-oxo-4-(phenylmethoxycarbonylamino)butan-2-yl] benzoate | 1215860-37-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2S)-1-[[(1R,2S,3R,4R,5S)-4-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(phenylmethoxycarbonylamino)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(phenylmethoxycarbonylamino)cyclohexyl]amino]-1-oxo-4-(phenylmethoxycarbonylamino)butan-2-yl] benzoate
• CAS: 1215860-37-9
• 化学式: C₇₄H₈₆N₆O₂₇
• 分子量: 1491.52
• InChiKey: NYWVKMYPBXNAOL-BCHGJRCUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  107
• 可旋转键数：
  36
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  464
• 氢给体数：
  14
• 氢受体数：
  27

反应信息

• 作为反应物：
  描述：

  [(2S)-1-[[(1R,2S,3R,4R,5S)-4-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(phenylmethoxycarbonylamino)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(phenylmethoxycarbonylamino)cyclohexyl]amino]-1-oxo-4-(phenylmethoxycarbonylamino)butan-2-yl] benzoate 、 苯甲醛 在 三氟乙酸 作用下， 反应 14.0h， 以61%的产率得到[(2S)-1-[[(1R,2S,3R,4R,5S)-4-[[(4aR,6S,7R,8R,8aS)-8-hydroxy-2-phenyl-7-(phenylmethoxycarbonylamino)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(phenylmethoxycarbonylamino)cyclohexyl]amino]-1-oxo-4-(phenylmethoxycarbonylamino)butan-2-yl] benzoate
  参考文献：
  名称：

  [EN] ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS
  [FR] ANALOGUES D'AMINOGLYCOSIDE ANTIBACTÉRIENS

  摘要：

  公开号：

  WO2011044538A9
• 作为产物：
  描述：

  苯甲氧羰酰琥珀酰亚胺 、 6'''-Cbz-1-(N-Cbz-4-amino-2(S)-benzoyloxy-butyryl)-paromomycin 在 N,N-二异丙基乙胺 、 N,N-二甲基-1,3-二氨基丙烷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 [(2S)-1-[[(1R,2S,3R,4R,5S)-4-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(phenylmethoxycarbonylamino)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-4,5-dihydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxycarbonylaminomethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-5-(phenylmethoxycarbonylamino)cyclohexyl]amino]-1-oxo-4-(phenylmethoxycarbonylamino)butan-2-yl] benzoate
  参考文献：
  名称：

  [EN] ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS
  [FR] ANALOGUES D'AMINOGLYCOSIDE ANTIBACTÉRIENS

  摘要：

  公开号：

  WO2011044538A9

文献信息

• [EN] ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS<br/>[FR] ANALOGUES D'AMINOGLYCOSIDES ANTIBACTÉRIENS
  申请人：ACHAOGEN INC

  公开号：WO2010030704A2

  公开（公告）日：2010-03-18

  Compounds having antibacterial activity are disclosed. The compounds have the following structure (I) including stereoisomers, pharmaceutically acceptable salts and prodrugs thereof, wherein Q1, Q2, Z1, Z2, Z3, Z4, R1, R2 and R3 are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.